# # h,k,l, Fc-squared, Fo-squared,and sigma(Fo-squared) # data_I _chemical_formula_moiety 'Li O4 V2' _chemical_formula_sum 'Li O4 V2' _chemical_formula_weight 172.82 _symmetry_cell_setting 'cubic' _symmetry_space_group_name_H-M 'F d -3 m' _symmetry_Int_Tables_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y+1/4, -z+1/4' '-x+3/4, -y+1/4, z+1/2' '-x+3/4, y, -z+3/4' '-y, x+1/4, z+1/4' 'y+3/4, x+1/4, -z+1/2' 'y+3/4, -x, z+3/4' '-y, -x, -z' 'y, z, x' '-y+3/4, -z+1/4, x+1/2' 'y, -z+1/4, -x+1/4' '-y+3/4, z, -x+3/4' '-z, y+1/4, x+1/4' '-z, -y, -x' 'z+3/4, -y, x+3/4' 'z+3/4, y+1/4, -x+1/2' 'z, x, y' '-z+1/4, x+1/2, -y+3/4' '-z+1/4, -x+1/4, y' 'z, -x+3/4, -y+3/4' '-x, -z, -y' '-x, z+3/4, y+3/4' 'x+1/4, -z+1/2, y+3/4' 'x+3/4, z+1/4, -y+1/2' 'x, y+1/2, z+1/2' 'x, -y+3/4, -z+3/4' '-x+3/4, -y+3/4, z+1' '-x+3/4, y+1/2, -z+5/4' '-y, x+3/4, z+3/4' 'y+3/4, x+3/4, -z+1' 'y+3/4, -x+1/2, z+5/4' '-y, -x+1/2, -z+1/2' 'y, z+1/2, x+1/2' '-y+3/4, -z+3/4, x+1' 'y, -z+3/4, -x+3/4' '-y+3/4, z+1/2, -x+5/4' '-z, y+3/4, x+3/4' '-z, -y+1/2, -x+1/2' 'z+3/4, -y+1/2, x+5/4' 'z+3/4, y+3/4, -x+1' 'z, x+1/2, y+1/2' '-z+1/4, x+1, -y+5/4' '-z+1/4, -x+3/4, y+1/2' 'z, -x+5/4, -y+5/4' '-x, -z+1/2, -y+1/2' '-x, z+5/4, y+5/4' 'x+1/4, -z+1, y+5/4' 'x+3/4, z+3/4, -y+1' 'x+1/2, y, z+1/2' 'x+1/2, -y+1/4, -z+3/4' '-x+5/4, -y+1/4, z+1' '-x+5/4, y, -z+5/4' '-y+1/2, x+1/4, z+3/4' 'y+5/4, x+1/4, -z+1' 'y+5/4, -x, z+5/4' '-y+1/2, -x, -z+1/2' 'y+1/2, z, x+1/2' '-y+5/4, -z+1/4, x+1' 'y+1/2, -z+1/4, -x+3/4' '-y+5/4, z, -x+5/4' '-z+1/2, y+1/4, x+3/4' '-z+1/2, -y, -x+1/2' 'z+5/4, -y, x+5/4' 'z+5/4, y+1/4, -x+1' 'z+1/2, x, y+1/2' '-z+3/4, x+1/2, -y+5/4' '-z+3/4, -x+1/4, y+1/2' 'z+1/2, -x+3/4, -y+5/4' '-x+1/2, -z, -y+1/2' '-x+1/2, z+3/4, y+5/4' 'x+3/4, -z+1/2, y+5/4' 'x+5/4, z+1/4, -y+1' 'x+1/2, y+1/2, z' 'x+1/2, -y+3/4, -z+1/4' '-x+5/4, -y+3/4, z+1/2' '-x+5/4, y+1/2, -z+3/4' '-y+1/2, x+3/4, z+1/4' 'y+5/4, x+3/4, -z+1/2' 'y+5/4, -x+1/2, z+3/4' '-y+1/2, -x+1/2, -z' 'y+1/2, z+1/2, x' '-y+5/4, -z+3/4, x+1/2' 'y+1/2, -z+3/4, -x+1/4' '-y+5/4, z+1/2, -x+3/4' '-z+1/2, y+3/4, x+1/4' '-z+1/2, -y+1/2, -x' 'z+5/4, -y+1/2, x+3/4' 'z+5/4, y+3/4, -x+1/2' 'z+1/2, x+1/2, y' '-z+3/4, x+1, -y+3/4' '-z+3/4, -x+3/4, y' 'z+1/2, -x+5/4, -y+3/4' '-x+1/2, -z+1/2, -y' '-x+1/2, z+5/4, y+3/4' 'x+3/4, -z+1, y+3/4' 'x+5/4, z+3/4, -y+1/2' '-x, -y, -z' '-x, y-1/4, z-1/4' 'x-3/4, y-1/4, -z-1/2' 'x-3/4, -y, z-3/4' 'y, -x-1/4, -z-1/4' '-y-3/4, -x-1/4, z-1/2' '-y-3/4, x, -z-3/4' 'y, x, z' '-y, -z, -x' 'y-3/4, z-1/4, -x-1/2' '-y, z-1/4, x-1/4' 'y-3/4, -z, x-3/4' 'z, -y-1/4, -x-1/4' 'z, y, x' '-z-3/4, y, -x-3/4' '-z-3/4, -y-1/4, x-1/2' '-z, -x, -y' 'z-1/4, -x-1/2, y-3/4' 'z-1/4, x-1/4, -y' '-z, x-3/4, y-3/4' 'x, z, y' 'x, -z-3/4, -y-3/4' '-x-1/4, z-1/2, -y-3/4' '-x-3/4, -z-1/4, y-1/2' '-x, -y+1/2, -z+1/2' '-x, y+1/4, z+1/4' 'x-3/4, y+1/4, -z' 'x-3/4, -y+1/2, z-1/4' 'y, -x+1/4, -z+1/4' '-y-3/4, -x+1/4, z' '-y-3/4, x+1/2, -z-1/4' 'y, x+1/2, z+1/2' '-y, -z+1/2, -x+1/2' 'y-3/4, z+1/4, -x' '-y, z+1/4, x+1/4' 'y-3/4, -z+1/2, x-1/4' 'z, -y+1/4, -x+1/4' 'z, y+1/2, x+1/2' '-z-3/4, y+1/2, -x-1/4' '-z-3/4, -y+1/4, x' '-z, -x+1/2, -y+1/2' 'z-1/4, -x, y-1/4' 'z-1/4, x+1/4, -y+1/2' '-z, x-1/4, y-1/4' 'x, z+1/2, y+1/2' 'x, -z-1/4, -y-1/4' '-x-1/4, z, -y-1/4' '-x-3/4, -z+1/4, y' '-x+1/2, -y, -z+1/2' '-x+1/2, y-1/4, z+1/4' 'x-1/4, y-1/4, -z' 'x-1/4, -y, z-1/4' 'y+1/2, -x-1/4, -z+1/4' '-y-1/4, -x-1/4, z' '-y-1/4, x, -z-1/4' 'y+1/2, x, z+1/2' '-y+1/2, -z, -x+1/2' 'y-1/4, z-1/4, -x' '-y+1/2, z-1/4, x+1/4' 'y-1/4, -z, x-1/4' 'z+1/2, -y-1/4, -x+1/4' 'z+1/2, y, x+1/2' '-z-1/4, y, -x-1/4' '-z-1/4, -y-1/4, x' '-z+1/2, -x, -y+1/2' 'z+1/4, -x-1/2, y-1/4' 'z+1/4, x-1/4, -y+1/2' '-z+1/2, x-3/4, y-1/4' 'x+1/2, z, y+1/2' 'x+1/2, -z-3/4, -y-1/4' '-x+1/4, z-1/2, -y-1/4' '-x-1/4, -z-1/4, y' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/4, z-1/4' 'x-1/4, y+1/4, -z-1/2' 'x-1/4, -y+1/2, z-3/4' 'y+1/2, -x+1/4, -z-1/4' '-y-1/4, -x+1/4, z-1/2' '-y-1/4, x+1/2, -z-3/4' 'y+1/2, x+1/2, z' '-y+1/2, -z+1/2, -x' 'y-1/4, z+1/4, -x-1/2' '-y+1/2, z+1/4, x-1/4' 'y-1/4, -z+1/2, x-3/4' 'z+1/2, -y+1/4, -x-1/4' 'z+1/2, y+1/2, x' '-z-1/4, y+1/2, -x-3/4' '-z-1/4, -y+1/4, x-1/2' '-z+1/2, -x+1/2, -y' 'z+1/4, -x, y-3/4' 'z+1/4, x+1/4, -y' '-z+1/2, x-1/4, y-3/4' 'x+1/2, z+1/2, y' 'x+1/2, -z-1/4, -y-3/4' '-x+1/4, z, -y-3/4' '-x-1/4, -z+1/4, y-1/2' _cell_length_a 8.2437(2) _cell_length_b 8.2437(2) _cell_length_c 8.2437(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 560.23(2) _cell_formula_units_Z 8 _shelx_F_squared_multiplier 1.0 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 1 1 1 175 176 99 2 2 0 20 18 36 2 2 2 93 101 99 3 1 1 140 139 99 3 3 1 85 85 99 3 3 3 77 77 99 4 0 0 375 383 99 4 2 2 11 9 23 4 4 0 316 308 99 4 4 2 9 8 10 4 4 4 255 232 99 5 1 1 140 143 99 5 3 1 99 99 99 5 3 3 97 93 99 5 5 1 104 104 99 5 5 3 100 97 99 5 5 5 102 101 99 6 2 0 5 4 5 6 2 2 96 96 99 6 4 2 13 12 17 6 4 4 7 5 9 6 6 0 17 17 27 6 6 2 86 83 99 6 6 4 4 3 4 6 6 6 78 74 99 7 1 1 64 61 99 7 3 1 61 60 99 7 3 3 39 37 99 7 5 1 69 69 99 7 5 3 53 51 99 7 5 5 60 57 99 7 7 1 34 34 89 7 7 3 33 33 85 7 7 5 44 45 99 7 7 7 19 19 46 8 0 0 204 210 99 8 2 2 8 8 10 8 4 0 173 171 99 8 4 2 9 9 10 8 4 4 168 163 99 8 6 2 4 3 4 8 6 4 8 7 13 8 6 6 9 10 14 8 8 0 136 135 99 8 8 2 13 13 18 8 8 4 118 118 99 8 8 6 11 11 19 8 8 8 104 101 99 9 1 1 77 80 99 9 3 1 76 77 99 9 3 3 62 61 99 9 5 1 80 81 99 9 5 3 65 65 99 9 5 5 69 70 99 9 7 1 50 51 99 9 7 3 52 52 99 9 7 5 52 53 99 9 7 7 37 39 99 9 9 1 61 61 99 9 9 3 58 58 99 9 9 5 61 63 99 9 9 7 41 42 99 9 9 9 53 51 99 10 2 0 10 9 14 10 2 2 72 75 99 10 4 2 3 1 4 10 4 4 5 3 9 10 6 0 8 7 13 10 6 2 66 68 99 10 6 4 13 13 21 10 6 6 62 62 99 10 8 2 6 6 9 10 8 4 5 4 9 10 8 6 5 5 9 10 8 8 8 7 14 10 10 0 15 16 27 10 10 2 57 58 99 10 10 4 10 10 19 10 10 6 53 54 99 10 10 8 10 10 19 10 10 10 47 46 99 11 1 1 39 41 99 11 3 1 29 30 70 11 3 3 29 29 68 11 5 1 36 37 99 11 5 3 37 38 99 11 5 5 39 41 99 11 7 1 28 28 66 11 7 3 19 18 35 11 7 5 28 28 67 11 7 7 16 16 32 11 9 1 38 38 99 11 9 3 33 33 91 11 9 5 33 33 90 11 9 7 30 32 81 11 9 9 31 31 79 11 11 1 19 19 36 11 11 3 17 16 32 11 11 5 25 24 57 11 11 7 11 10 19 11 11 9 23 24 52 12 0 0 111 117 99 12 2 2 5 3 9 12 4 0 112 115 99 12 4 2 9 9 14 12 4 4 101 102 99 12 6 2 5 4 9 12 6 4 8 7 13 12 6 6 3 1 4 12 8 0 90 90 99 12 8 2 14 14 25 12 8 4 86 89 99 12 8 6 12 12 20 12 8 8 70 72 99 12 10 2 3 0 4 12 10 4 6 5 9 12 10 6 5 6 9 12 10 8 9 8 18 12 10 10 5 4 9 12 12 0 69 70 99 12 12 2 15 15 27 12 12 4 64 64 99 12 12 6 13 13 21 13 1 1 58 61 99 13 3 1 50 52 99 13 3 3 51 52 99 13 5 1 53 54 99 13 5 3 51 52 99 13 5 5 53 55 99 13 7 1 43 45 99 13 7 3 39 40 99 13 7 5 39 39 99 13 7 7 36 37 99 13 9 1 48 48 99 13 9 3 42 41 99 13 9 5 45 45 99 13 9 7 34 34 97 13 9 9 40 40 99 13 11 1 31 30 80 13 11 3 31 32 85 13 11 5 29 29 74 13 11 7 27 27 64 13 13 1 36 35 99 14 2 0 4 1 4 14 2 2 56 59 99 14 4 2 5 5 9 14 4 4 3 1 9 14 6 0 11 12 19 14 6 2 53 55 99 14 6 4 8 7 13 14 6 6 50 51 99 14 8 2 3 1 9 14 8 4 3 2 9 14 8 6 8 8 14 14 8 8 5 4 9 14 10 0 12 11 19 14 10 2 47 47 99 14 10 4 12 13 20 14 10 6 45 43 99 14 12 2 3 2 4 15 1 1 22 22 48 15 3 1 22 22 48 15 3 3 17 16 32 15 5 1 26 25 59 15 5 3 23 22 48 15 5 5 24 23 51 15 7 1 18 17 33 15 7 3 15 15 27 15 7 5 22 21 47 15 7 7 11 10 19 15 9 1 23 22 49 15 9 3 24 24 52 15 9 5 23 22 49 16 0 0 78 77 99 16 2 2 3 2 9 16 4 0 71 70 99 16 4 2 8 7 13 16 4 4 70 69 99 16 6 2 3 1 9 16 6 4 7 6 13 16 6 6 3 2 4 16 8 0 63 62 99 16 8 2 12 12 20 16 8 4 59 57 99 17 1 1 42 40 99 17 3 1 41 40 99 17 3 3 37 37 99 17 5 1 41 39 99 17 5 3 36 35 99 17 5 5 36 36 99 17 7 1 32 32 85 18 2 0 5 4 9 18 2 2 49 45 99 18 4 2 3 2 4